BioLiP

PDB

BioLiP

PDB CCD ID:

UEY

Number of entries in BioLiP:

Chemical formula:

C19 H17 N5

InChI:

InChI=1S/C19H17N5/c20-17-12-16(18-19(21-17)23-24-22-18)15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H3,20,21,22,23,24)/t15-/m1/s1

InChIKey:

PCFOKFFOSYNQNP-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1cc([C@H](Cc2ccccc2)c3ccccc3)c4nn[nH]c4n1
ACDLabs 12.01	c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3)c4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N
CACTVS 3.385	Nc1cc([CH](Cc2ccccc2)c3ccccc3)c4nn[nH]c4n1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(c2ccccc2)c3cc(nc4c3nn[nH]4)N

Name:

7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

ChEMBL:

CHEMBL4761170

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).